2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide

C13H17F3N2O2 — CID 47003769

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H17F3N2O2/c1-3-4-9(2)17-11(19)8-18-7-10(13(14,15)16)5-6-12(18)20/h5-7,9H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyUTMNCFPATZJSDQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.17
Rot. Bonds5

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide (PubChem CID 47003769) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
PubChem CID47003769
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H17F3N2O2/c1-3-4-9(2)17-11(19)8-18-7-10(13(14,15)16)5-6-12(18)20/h5-7,9H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyUTMNCFPATZJSDQ-UHFFFAOYSA-N
XLogP2.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide (CID 47003769) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide?
The InChIKey is UTMNCFPATZJSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-4-9(2)17-11(19)8-18-7-10(13(14,15)16)5-6-12(18)20/h5-7,9H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide has a molecular weight of 290.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 47003769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).